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(trans)-[7R,8R]-bis(Benzoyloxy)-7,8-dihydro-2-fluorobenzo[a]pyrene
SpectraBase Compound ID B8FeUsDSYGR
InChI InChI=1S/C34H21FO4/c35-25-17-22-11-12-24-19-28-26(27-14-13-23(18-25)30(22)31(24)27)15-16-29(38-33(36)20-7-3-1-4-8-20)32(28)39-34(37)21-9-5-2-6-10-21/h1-19,29,32H/t29-,32-/m1/s1
InChIKey ZFCWHVVULSJVKF-QLWXXVCSSA-N
Mol Weight 512.5 g/mol
Molecular Formula C34H21FO4
Exact Mass 512.142387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gm9ZNNV7PDd
Name (trans)-[7R,8R]-bis(Benzoyloxy)-7,8-dihydro-2-fluorobenzo[a]pyrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H21FO4
InChI InChI=1S/C34H21FO4/c35-25-17-22-11-12-24-19-28-26(27-14-13-23(18-25)30(22)31(24)27)15-16-29(38-33(36)20-7-3-1-4-8-20)32(28)39-34(37)21-9-5-2-6-10-21/h1-19,29,32H/t29-,32-/m1/s1
InChIKey ZFCWHVVULSJVKF-QLWXXVCSSA-N
Molecular Weight 512.536 g/mol
SMILES c12c(c3ccc4c5c3c(c2)ccc5cc(F)c4)C=C[C@]([C@@]1(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0ab9-2920020000-0d8e7da4e2836e20fe84
Source of Spectrum CRT-19-245-20
Wiley ID 1710190